SCHEMBL18999997

SCHEMBL18999997

CC(C)CNC(=O)CNC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
MMP1 P03956 1/20 0.41
MMP8 P22894 1/20 0.41
HPGD P15428 5/20 0.41
RECQL P46063 1/20 0.39
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 1/20 0.35
EPHX1 P07099 1/20 0.35
MLYCD O95822 1/20 0.35
ALDH1A1 P00352 1/20 0.35
EPHX2 P34913 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24535466 0.80 CYP2D6 (0.43) CYP2D6CYP2C19MMP1MMP8HPGD
SCHEMBL22859842 0.80 RECQL (0.32) RECQL
SCHEMBL21850104 0.76 RECQL (0.31) RECQL
SCHEMBL22018635 0.76 KMT2A (0.39) HPGDLMNASMN1; SMN2GAAKMT2A
SCHEMBL10245280 0.76 MCL1 (0.41) MMP1MMP8RECQLGAAKMT2A
SCHEMBL10381056 0.76 CYP2D6 (0.52) CYP2D6CYP2C19MMP1MMP8HPGD
SCHEMBL13373810 0.76 CYP2D6 (0.52) CYP2D6CYP2C19MMP1MMP8HPGD
SCHEMBL22349837 0.75 ALDH1A1 (0.37) ALDH1A1
SCHEMBL10447542 0.74 CYP2D6 (0.62) CYP2D6CYP2C19MMP1MMP8HPGD
SCHEMBL14805819 0.74 EGLN1 (0.40) HPGDRECQLUSP2LMNAKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11793881-B2 Polyethylene glycol conjugate medicament, preparation method therefor and use thereof Chongqing Upgra Biotechnology Co., Ltd. (CN) 2023-10-24 US disclosed
EP-3889145-A1 8-CYANO-5-PIPERIDINO-QUINOLINES AS TLR7/8 ANTAGONISTS AND THEIR USES FOR TREATING IMMUNE DISORDERS Merck Patent GmbH (DE) 2021-10-06 EP disclosed
US-20200316051-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2020-10-08 US disclosed
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-06-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200316051-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 CYP2D6 2908/4885CYP2C19 3103/4885MMP1 4259/4885
US-11793881-B2 Polyethylene glycol conjugate medicament, preparation method therefor and use thereof SLC10A1, SLC10A2, NOTUM CYP2D6 1166/4885CYP2C19 780/4885MMP1 2275/4885
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 CYP2D6 2085/4885CYP2C19 2398/4885MMP1 4719/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.